CID 5399085

Thiopheneacrylamide

Structural Information

Molecular Formula
C7H7NOS
SMILES
C1=CSC(=C1)/C=C/C(=O)N
InChI
InChI=1S/C7H7NOS/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H2,8,9)/b4-3+
InChIKey
AEKLLKXWNJVXKT-ONEGZZNKSA-N
Compound name
(E)-3-thiophen-2-ylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

153.02484 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.032116 131.4
[M+Na]+ 176.014058 139.5
[M-H]- 152.017564 135.0
[M+NH4]+ 171.058663 154.2
[M+K]+ 191.987998 136.7
[M+H-H2O]+ 136.022100 126.0
[M+HCOO]- 198.023041 151.9
[M+CH3COO]- 212.038691 173.7
[M+Na-2H]- 173.999506 133.0
[M]+ 153.02429142 131.1
[M]- 153.02538858 131.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe